2. Academic Validation
  3. Discovery of new inhibitor for PDE3 by virtual screening

Discovery of new inhibitor for PDE3 by virtual screening

  • Bioorg Med Chem Lett. 2011 Mar 15;21(6):1617-20. doi: 10.1016/j.bmcl.2011.01.120.
Ki Young Kim 1,  Hyuk Lee,  Sung-Eun Yoo,  Seong Hwan Kim,  Nam Sook Kang
Affiliations

Affiliation

  • 1 Bio-Organic Science Division, Korea Research Institute of Chemical Technology, Yuseong-gu, Daejeon, South Korea.
PMID: 21330134 DOI: 10.1016/j.bmcl.2011.01.120
Abstract

In this work, we tried to find a new scaffold for a PDE3 using virtual screening for the obesity treatment. We first analyzed structural features for the known PDE3 inhibitors based on the PDE3B-ligand complex structure, and then carried out a docking study based on PDE3B 3D structure. We obtained a compound as potent PDE3 Inhibitor stimulating lipolysis in murine adipocytes and human adipocytes.

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